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MAYBRIDGE-ZINC04336346

 MMsINC code: MMs02168625
Type: Neutral
Formula: C23H26N4O
SMILES:   O=C(N(C)c1ccccc1)CN1CCN(CC1)c1cc(nc2c1cccc2)C
InChI:   InChI=1/C23H26N4O/c1-18-16-22(20-10-6-7-11-21(20)24-18)27-14-12-26(13-15-27)17-23(28)25(2)19-8-4-3-5-9-19/h3-11,16H,12-15,17H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=194.773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.488 g/mol  logS: -4.15139  SlogP: 3.32822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811467  Sterimol/B1: 2.08589  Sterimol/B2: 3.94454  Sterimol/B3: 4.76176
  Sterimol/B4: 8.6862  Sterimol/L: 18.6049 
 
 Surface and Volume Properties
  Accessible surface: 671.088  Positive charged surface: 464.03  Negative charged surface: 203.446  Volume: 381
  Hydrophobic surface: 624.877  Hydrophilic surface: 46.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02168626
MAYBRIDGE-ZINC04336346